1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine

C18H27NO — CID 107669269

IUPAC1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc2cc(C(C)CC)ccc2o1)C(C)C
InChIInChI=1S/C18H27NO/c1-6-13(5)14-8-9-16-15(10-14)11-17(20-16)18(12(3)4)19-7-2/h8-13,18-19H,6-7H2,1-5H3
InChIKeyPMBRHMBVSWRTPC-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.25
Rot. Bonds6

About 1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine

1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 107669269) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID107669269
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc2cc(C(C)CC)ccc2o1)C(C)C
InChIInChI=1S/C18H27NO/c1-6-13(5)14-8-9-16-15(10-14)11-17(20-16)18(12(3)4)19-7-2/h8-13,18-19H,6-7H2,1-5H3
InChIKeyPMBRHMBVSWRTPC-UHFFFAOYSA-N
XLogP5.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-butan-2-yl-1-benzofuran-2-yl)methanamine
CID 107668317
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
5-butan-2-yl-1-benzofuran-2-carboxamide
CID 155041385
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 107667356
2,5-di(propan-2-yl)-1-benzofuran
CID 59835786
1-(5-chloro-1-benzofuran-2-yl)-N,2-diethylhexan-1-amine
CID 105045797
N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65441173
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
2-butan-2-yl-1-benzofuran
CID 12065919

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine (CID 107669269) is 1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cc2cc(C(C)CC)ccc2o1)C(C)C.
What is the InChIKey of 1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is PMBRHMBVSWRTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-6-13(5)14-8-9-16-15(10-14)11-17(20-16)18(12(3)4)19-7-2/h8-13,18-19H,6-7H2,1-5H3.
What are the key properties of 1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine?
1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 107669269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).